N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methylphenyl)propanamide

C21H25N3O2 — CID 110666879

IUPACN-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2ccc(N3CCCN(C)C3=O)cc2)c1
InChIInChI=1S/C21H25N3O2/c1-16-5-3-6-17(15-16)7-12-20(25)22-18-8-10-19(11-9-18)24-14-4-13-23(2)21(24)26/h3,5-6,8-11,15H,4,7,12-14H2,1-2H3,(H,22,25)
InChIKeyWGKBLTFSYQGJNU-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.83
Rot. Bonds5

About N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methylphenyl)propanamide

N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methylphenyl)propanamide (PubChem CID 110666879) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methylphenyl)propanamide
PubChem CID110666879
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2ccc(N3CCCN(C)C3=O)cc2)c1
InChIInChI=1S/C21H25N3O2/c1-16-5-3-6-17(15-16)7-12-20(25)22-18-8-10-19(11-9-18)24-14-4-13-23(2)21(24)26/h3,5-6,8-11,15H,4,7,12-14H2,1-2H3,(H,22,25)
InChIKeyWGKBLTFSYQGJNU-UHFFFAOYSA-N
XLogP3.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(2-methylphenyl)propanamide
CID 110666880
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 110673093
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 90595766
N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 110666893
N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide
CID 110666832
N-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide
CID 114299156
3-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 8597782
N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide
CID 108922603
N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 62058474
3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 28713584
N-(4-carbamothioylphenyl)-3-(3-methylphenyl)propanamide
CID 62365344
N-(4-chlorophenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50814002

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methylphenyl)propanamide (CID 110666879) is N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)Nc2ccc(N3CCCN(C)C3=O)cc2)c1.
What is the InChIKey of N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methylphenyl)propanamide?
The InChIKey is WGKBLTFSYQGJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-5-3-6-17(15-16)7-12-20(25)22-18-8-10-19(11-9-18)24-14-4-13-23(2)21(24)26/h3,5-6,8-11,15H,4,7,12-14H2,1-2H3,(H,22,25).
What are the key properties of N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methylphenyl)propanamide?
N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methylphenyl)propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 110666879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).